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BDBM82294 PP2-36, HUMAN

SMILES: [#6]-[#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7+]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7+])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#16]-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6](-[#6])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1)-[#6](-[#6])-[#6])-[#6](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#16]-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](-[#7])=O

InChI Key: InChIKey=YDHULUOIOSBFCL-UVXSQFMKSA-P

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 82294   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
PPYR1


(Homo sapiens (Human))
BDBM82294
PNG
(PP2-36, HUMAN)
Show SMILES [#6]-[#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7+]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7+])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#16]-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6](-[#6])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1)-[#6](-[#6])-[#6])-[#6](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#16]-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](-[#7])=O
Show InChI InChI=1S/C183H284N52O53S2/c1-20-91(10)142(174(283)226-125(84-136(187)245)164(273)212-115(64-75-290-19)159(268)221-121(78-89(6)7)167(276)230-143(97(16)236)175(284)216-116(34-25-69-201-183(195)196)176(285)232-70-27-36-130(232)170(279)213-110(33-24-68-200-182(193)194)154(263)217-118(145(188)254)79-99-39-47-103(238)48-40-99)229-168(277)123(81-101-43-51-105(240)52-44-101)224-155(264)109(32-23-67-199-181(191)192)208-153(262)108(31-22-66-198-180(189)190)209-162(271)119(76-87(2)3)222-165(274)126(85-139(250)251)218-148(257)93(12)202-146(255)92(11)204-160(269)122(80-100-41-49-104(239)50-42-100)223-158(267)111(55-59-133(184)242)207-147(256)94(13)203-152(261)114(63-74-289-18)211-156(265)112(56-60-134(185)243)210-157(266)113(57-61-137(246)247)214-171(280)131-37-29-73-235(131)179(288)144(98(17)237)231-150(259)96(15)205-161(270)124(83-135(186)244)225-166(275)127(86-140(252)253)219-149(258)95(14)206-169(278)129-35-26-72-234(129)178(287)128(82-102-45-53-106(241)54-46-102)227-173(282)141(90(8)9)228-172(281)132-38-28-71-233(132)177(286)117(58-62-138(248)249)215-163(272)120(77-88(4)5)220-151(260)107-30-21-65-197-107/h39-54,87-98,107-132,141-144,197,236-241H,20-38,55-86H2,1-19H3,(H2,184,242)(H2,185,243)(H2,186,244)(H2,187,245)(H2,188,254)(H,202,255)(H,203,261)(H,204,269)(H,205,270)(H,206,278)(H,207,256)(H,208,262)(H,209,271)(H,210,266)(H,211,265)(H,212,273)(H,213,279)(H,214,280)(H,215,272)(H,216,284)(H,217,263)(H,218,257)(H,219,258)(H,220,260)(H,221,268)(H,222,274)(H,223,267)(H,224,264)(H,225,275)(H,226,283)(H,227,282)(H,228,281)(H,229,277)(H,230,276)(H,231,259)(H,246,247)(H,248,249)(H,250,251)(H,252,253)(H4,189,190,198)(H4,191,192,199)(H4,193,194,200)(H4,195,196,201)/p+2/t91?,92-,93-,94-,95?,96-,97+,98?,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,141-,142-,143-,144-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0800n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by PDSP Ki Database




J Biol Chem 270: 26762-5 (1995)


Article DOI: 10.1074/jbc.270.45.26762
BindingDB Entry DOI: 10.7270/Q2K9362H
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM82294
PNG
(PP2-36, HUMAN)
Show SMILES [#6]-[#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7+]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7+])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#16]-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6](-[#6])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1)-[#6](-[#6])-[#6])-[#6](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#16]-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](-[#7])=O
Show InChI InChI=1S/C183H284N52O53S2/c1-20-91(10)142(174(283)226-125(84-136(187)245)164(273)212-115(64-75-290-19)159(268)221-121(78-89(6)7)167(276)230-143(97(16)236)175(284)216-116(34-25-69-201-183(195)196)176(285)232-70-27-36-130(232)170(279)213-110(33-24-68-200-182(193)194)154(263)217-118(145(188)254)79-99-39-47-103(238)48-40-99)229-168(277)123(81-101-43-51-105(240)52-44-101)224-155(264)109(32-23-67-199-181(191)192)208-153(262)108(31-22-66-198-180(189)190)209-162(271)119(76-87(2)3)222-165(274)126(85-139(250)251)218-148(257)93(12)202-146(255)92(11)204-160(269)122(80-100-41-49-104(239)50-42-100)223-158(267)111(55-59-133(184)242)207-147(256)94(13)203-152(261)114(63-74-289-18)211-156(265)112(56-60-134(185)243)210-157(266)113(57-61-137(246)247)214-171(280)131-37-29-73-235(131)179(288)144(98(17)237)231-150(259)96(15)205-161(270)124(83-135(186)244)225-166(275)127(86-140(252)253)219-149(258)95(14)206-169(278)129-35-26-72-234(129)178(287)128(82-102-45-53-106(241)54-46-102)227-173(282)141(90(8)9)228-172(281)132-38-28-71-233(132)177(286)117(58-62-138(248)249)215-163(272)120(77-88(4)5)220-151(260)107-30-21-65-197-107/h39-54,87-98,107-132,141-144,197,236-241H,20-38,55-86H2,1-19H3,(H2,184,242)(H2,185,243)(H2,186,244)(H2,187,245)(H2,188,254)(H,202,255)(H,203,261)(H,204,269)(H,205,270)(H,206,278)(H,207,256)(H,208,262)(H,209,271)(H,210,266)(H,211,265)(H,212,273)(H,213,279)(H,214,280)(H,215,272)(H,216,284)(H,217,263)(H,218,257)(H,219,258)(H,220,260)(H,221,268)(H,222,274)(H,223,267)(H,224,264)(H,225,275)(H,226,283)(H,227,282)(H,228,281)(H,229,277)(H,230,276)(H,231,259)(H,246,247)(H,248,249)(H,250,251)(H,252,253)(H4,189,190,198)(H4,191,192,199)(H4,193,194,200)(H4,195,196,201)/p+2/t91?,92-,93-,94-,95?,96-,97+,98?,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,141-,142-,143-,144-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
100n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by PDSP Ki Database




J Biol Chem 270: 26762-5 (1995)


Article DOI: 10.1074/jbc.270.45.26762
BindingDB Entry DOI: 10.7270/Q2K9362H
More data for this
Ligand-Target Pair